SODIUM DEHYDROACETATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H7O4.Na
Molecular Weight	190.1285
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CC(=O)C1=C([O-])C=C(C)OC1=O

InChI

InChIKey=ZPNRBQVNNIDJHX-UHFFFAOYSA-M

InChI=1S/C8H8O4.Na/c1-4-3-6(10)7(5(2)9)8(11)12-4;/h3,10H,1-2H3;/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C8H7O4
Molecular Weight	167.1388
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/28677852 | https://www.ncbi.nlm.nih.gov/pubmed/27133632

Sodium dehydroacetate, a water-soluble antiseptic, is a food and feed additive with antimicrobial effects. Recently published studies have shown that sodium dehydroacetate in patients with leg ulcers could cause allergic contact dermatitis.

Approval Year

Targets

Primary Target	Pharmacology	Potency
Arachidonate 5-lipoxygenase 49 Target ID: CHEMBL312 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2066989	Inhibitor 8297	55.0 µM [IC50]
Sorghum bicolor 2 Target ID: CHEMBL613055 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19170511	Inhibitor 8297
Urochloa decumbens 2 Target ID: CHEMBL2367184 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19170511	Inhibitor 8297

PubMed

Title	Date	PubMed
Potent in vivo anti-malarial activity and representative snapshot pharmacokinetic evaluation of artemisinin-quinoline hybrids.	2013 Feb 21	23433124
Allergic contact dermatitis caused by resorcinol and sodium dehydroacetate in a patient with leg ulcers.	2016 Jun	27133632
The tissue residues of sodium dehydroacetate used as feed preservative in swine.	2018 Jan	28677852
Photoreactivities of the Antiseptics Dehydroacetic Acid and Sodium Dehydroacetate Used in Cosmetics.	2018 May 1	29467339

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 14:58:35 UTC 2023` Edited by `admin` on `Fri Dec 15 14:58:35 UTC 2023`
Record UNII	8W46YN971G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM DEHYDROACETATE

Official Name

English

2H-PYRAN-2,4(3H)-DIONE, 3-ACETYL-6-METHYL-, MONOSODIUM SALT

Common Name

English

SODIUM DEHYDROACETATE [INCI]

Common Name

English

SODIUM DEHYDROACETATE [MART.]

Common Name

English

SODIUM DEHYDROACETATE [HSDB]

Common Name

English

SODIUM DEHYDROACETATE [FCC]

Common Name

English

DEHYDROACETIC ACID, SODIUM SALT

Common Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

27802